HMDB0251496 RDKit 3D Dithizone 30 31 0 0 0 0 0 0 0 0999 V2000 0.6237 0.3213 -0.6472 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.8294 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 -1.9505 0.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 -1.8903 0.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 -0.7575 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 0.3786 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 1.4579 0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8887 1.4724 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 0.3451 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 -0.7397 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 -0.6926 1.2654 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 0.4148 1.1194 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 0.2293 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 0.8257 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 0.5488 -1.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0673 -0.3466 -1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 -0.9536 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -0.6738 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 0.3735 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 2.3422 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.3270 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7516 0.3078 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2383 -1.6241 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -1.3833 2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 1.2796 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 1.5325 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2071 1.0316 -2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8884 -0.5184 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6375 -1.6645 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 -1.1635 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 5 1 0 18 13 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 18 30 1 0 M END